3-(1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)propanoic acid

C14H15NO2 — CID 83984491

IUPAC3-(1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)propanoic acid
SMILESO=C(O)CCc1c[nH]c2cc3c(cc12)CCC3
InChIInChI=1S/C14H15NO2/c16-14(17)5-4-11-8-15-13-7-10-3-1-2-9(10)6-12(11)13/h6-8,15H,1-5H2,(H,16,17)
InChIKeySNRUYPZIDIYEJR-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.67
Rot. Bonds3

About 3-(1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)propanoic acid

3-(1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)propanoic acid (PubChem CID 83984491) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-(1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)propanoic acid
PubChem CID83984491
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name3-(1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)propanoic acid
SMILESO=C(O)CCc1c[nH]c2cc3c(cc12)CCC3
InChIInChI=1S/C14H15NO2/c16-14(17)5-4-11-8-15-13-7-10-3-1-2-9(10)6-12(11)13/h6-8,15H,1-5H2,(H,16,17)
InChIKeySNRUYPZIDIYEJR-UHFFFAOYSA-N
XLogP2.67
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-3-(1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)propanamide
CID 83984509
3-(5-fluoro-1H-indol-3-yl)propanoic acid
CID 10899794
3-(5-hydroxy-1H-indol-3-yl)propanoic acid;hydrochloride
CID 142678890
2-(5,6,7,8-tetrahydro-1H-benzo[f]indol-3-ylmethyl)butanoic acid
CID 83984618
3-(2-methyl-5,6,7,8-tetrahydro-1H-benzo[f]indol-3-yl)propanoic acid
CID 83984659
3-(5-methylsulfonyl-1H-indol-3-yl)propanoic acid
CID 83984871
3-(2,3-dihydro-1H-inden-5-yl)propanoic acid
CID 12646159
3-(4,5,6,7-tetrahydro-1H-indol-3-yl)propanoic acid
CID 10797861
tert-butyl N-[1-(1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)propan-2-yl]carbamate
CID 83984526
N-ethyl-1-(1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)propan-2-amine
CID 83984528
2-(methylamino)-2-(1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)acetic acid
CID 83984535
[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 7169259

Frequently Asked Questions

What is the IUPAC name of 3-(1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)propanoic acid?
The IUPAC name of 3-(1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)propanoic acid (CID 83984491) is 3-(1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)propanoic acid.
What is the SMILES notation for 3-(1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)propanoic acid?
The canonical SMILES for 3-(1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)propanoic acid is O=C(O)CCc1c[nH]c2cc3c(cc12)CCC3.
What is the InChIKey of 3-(1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)propanoic acid?
The InChIKey is SNRUYPZIDIYEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c16-14(17)5-4-11-8-15-13-7-10-3-1-2-9(10)6-12(11)13/h6-8,15H,1-5H2,(H,16,17).
What are the key properties of 3-(1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)propanoic acid?
3-(1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)propanoic acid has a molecular weight of 229.28 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)propanoic acid is sourced from PubChem (CID 83984491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).